SCHEMBL736412

SCHEMBL736412

C#Cc1cccc2ncncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.42
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
ERBB2 P04626 1/20 0.32
ADORA2A P29274 2/20 0.32
CSNK2A1 P68400 2/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GPR3 P46089 1/20 0.31
HTR1A P08908 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2008996 0.81 EGFR (0.42) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL27798083 0.75 EGFR (0.47) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL738596 0.73 MAPT (0.52) KDM4E
SCHEMBL4036487 0.71 EGFR (0.47) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL18810410 0.71 EGFR (0.47) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL277181 0.71 EGFR (0.47) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL1502533 0.71 EGFR (0.47) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL1261572 0.71 EGFR (0.47) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL2007641 0.71 EGFR (0.47) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL3820499 0.71 EGFR (0.47) EGFRPI4KAPI4K2BPI4K2API4KB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847545-B1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME UBE INDUSTRIES (JP) 2013-03-06 EP disclosed
CN-101111499-B Substituted ethynyl gold-nitrogen-containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES 2012-05-23 CN disclosed
US-8137821-B2 Substituted ethynyl gold-nitrogen containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES, LTD. (JP) 2012-03-20 US disclosed
US-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same UBE INDUSTRIES, LTD. (JP) 2009-04-09 US disclosed
CN-101111499-A Substituted ethynyl gold-nitrogenated heterocyclic carbene complex and organic electroluminescent device using same UBE INDUSTRIES (JP) 2008-01-23 CN disclosed
EP-1847545-A1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Ube Industries, Ltd. (JP) 2007-10-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same ACSL3, ATXN2L, ACSL1 EGFR 491/4885PI4KA 2667/4885PI4K2B 3174/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.